6-(1H-benzimidazol-2-ylsulfanyl)-5-chloranyl-pyridine-3-carboxylate

Systemtic Name: 6-(1H-benzimidazol-2-ylsulfanyl)-5-chloranyl-pyridine-3-carboxylate Openeye Name: 6-(1H-benzimidazol-2-ylsulfanyl)-5-chloro-pyridine-3-carboxylate CAS Name: 6-(1H-benzimidazol-2-ylthio)-5-chloro-3-pyridinecarboxylate IUPAC Name: 6-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyridine-3-carboxylate Traditional Name: 6-(1H-benzimidazol-2-ylthio)-5-chloro-nicotinate Formula: C13H7ClN3O2S- MolecularWeight: 304.73158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=N3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=N3)C(=O)[O-])Cl

InChI

InChI=1S/C13H8ClN3O2S/c14-8-5-7(12(18)19)6-15-11(8)20-13-16-9-3-1-2-4-10(9)17-13/h1-6H,(H,16,17)(H,18,19)/p-1